(4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate

C11H7F7O5S2 — CID 58031092

IUPAC(4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
SMILESC=Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)cc1
InChIInChI=1S/C11H7F7O5S2/c1-2-7-3-5-8(6-4-7)23-25(21,22)11(16,17)9(12,13)10(14,15)24(18,19)20/h2-6H,1H2
InChIKeyREAIFLNWUINJNO-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.16
Rot. Bonds7

About (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate

(4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate (PubChem CID 58031092) has the molecular formula C11H7F7O5S2 and a molecular weight of 416.29 g/mol. Its IUPAC name is (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate.

Molecular Properties

Compound Name(4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
PubChem CID58031092
Molecular FormulaC11H7F7O5S2
Molecular Weight416.29 g/mol
Exact Mass415.96
IUPAC Name(4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
SMILESC=Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)cc1
InChIInChI=1S/C11H7F7O5S2/c1-2-7-3-5-8(6-4-7)23-25(21,22)11(16,17)9(12,13)10(14,15)24(18,19)20/h2-6H,1H2
InChIKeyREAIFLNWUINJNO-UHFFFAOYSA-N
XLogP3.16
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
The IUPAC name of (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate (CID 58031092) is (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate.
What is the SMILES notation for (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
The canonical SMILES for (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate is C=Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)cc1.
What is the InChIKey of (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
The InChIKey is REAIFLNWUINJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7O5S2/c1-2-7-3-5-8(6-4-7)23-25(21,22)11(16,17)9(12,13)10(14,15)24(18,19)20/h2-6H,1H2.
What are the key properties of (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
(4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate has a molecular weight of 416.29 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate is sourced from PubChem (CID 58031092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).